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N-[2-(2-ketocyclohexyl)benzothiophen-3-yl]carbamic acid tert-butyl ester
SpectraBase Compound ID Dt69uevFlRj
InChI InChI=1S/C19H23NO3S/c1-19(2,3)23-18(22)20-16-13-9-5-7-11-15(13)24-17(16)12-8-4-6-10-14(12)21/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,20,22)
InChIKey RWZKCHMRERLLHL-UHFFFAOYSA-N
Mol Weight 345.46 g/mol
Molecular Formula C19H23NO3S
Exact Mass 345.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3I264aUYKxm
Name N-[2-(2-ketocyclohexyl)benzothiophen-3-yl]carbamic acid tert-butyl ester
CAS Registry Number 138900-89-7
Comments Less than 3 mono-isotopic peaks
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Formula C19H23NO3S
InChI InChI=1S/C19H23NO3S/c1-19(2,3)23-18(22)20-16-13-9-5-7-11-15(13)24-17(16)12-8-4-6-10-14(12)21/h5,7,9,11-12H,4,6,8,10H2,1-3H3,(H,20,22)
InChIKey RWZKCHMRERLLHL-UHFFFAOYSA-N
Molecular Weight 345.457 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c(sc2ccccc12)C1C(=O)CCCC1
SPLASH splash10-0002-0091000000-5599a9de888c71d57451
Source of Spectrum J-57-2187-11
Synonyms N-[2-(2-oxocyclohexyl)-1-benzothiophen-3-yl]carbamic acid tert-butyl ester tert-butyl N-[2-(2-oxidanylidenecyclohexyl)-1-benzothiophen-3-yl]carbamate tert-butyl N-[2-(2-oxocyclohexyl)-1-benzothiophen-3-yl]carbamate tert-butyl N-[2-(2-oxocyclohexyl)benzothiophen-3-yl]carbamate
Wiley ID 1338663